The Ligandable Human Proteome

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Histidine kinase/HSP90-like ATPase

IndexGene Name PrimaryProtein NameUniprot IDGene Name SynonymLigand NameStructurePDB Codeligand desolvationLigand StructureCompound Affinity nM
1ENPLEndoplasminP14625GRP94 TRA1vc5Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate6aom85.7630.
2ENPLEndoplasminP14625GRP94 TRA1vc1Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate6aol82.96540.
3ENPLEndoplasminP14625GRP94 TRA1gdmGRP94 n-terminal domain bound to geldanamycin: effects of mutants 168-169 KS-AA2esa77.98no data
4ENPLEndoplasminP14625GRP94 TRA1gdmGRP94 N-terminal Domain bound to geldanamycin2exl79.99no data
5ENPLEndoplasminP14625GRP94 TRA1cdyCrystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with 2-chlorodideoxyadenosine1qye88.52no data
6ENPLEndoplasminP14625GRP94 TRA1rdcN-Domain Of Grp94 Lacking The Charged Domain In Complex With Radicicol1u0z88.88no data
7ENPLEndoplasminP14625GRP94 TRA1rdaGRP94 in complex with the novel HSP90 Inhibitor Radamide2gfd84.22520.
8ENPLEndoplasminP14625GRP94 TRA1rdeGRP94 in complex with the novel HSP90 Inhibitor Radester amine2fyp86.4no data
9ENPLEndoplasminP14625GRP94 TRA1pa7N-Domain Of Grp94, with the Charged Domain, In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine6d1x79.45no data
10ENPLEndoplasminP14625GRP94 TRA1pa7N-Domain Of Grp94 In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine2gqp84.11no data
11ENPLEndoplasminP14625GRP94 TRA1neiN-Domain Of Grp94 In Complex With the 2-Iodo-NECA2h8m91.2no data
12ENPLEndoplasminP14625GRP94 TRA1p54Structure of the N-domain of GRP94 bound to the HSP90 inhibitor PU-H543o2f94.4no data
13ENPLEndoplasminP14625GRP94 TRA12lcCorrelation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity4nh984.92375.
14ENPLEndoplasminP14625GRP94 TRA16c0Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.5in988.8440.
15ENPLEndoplasminP14625GRP94 TRA17kyCrystal structure of Grp94 bound to isoform-selective inhibitor methyl 2-(2-(1-(4-bromobenzyl)-1H-imidazol-2-yl)ethyl)-3-chloro-4,6-dihydroxybenzoate5ttz74.1no data
16ENPLEndoplasminP14625GRP94 TRA19qyStructure of GRP94 N-terminal Domain bound to resorcinylic inhibitor BnIm.5wmt92.77no data
17ENPLEndoplasminP14625GRP94 TRA1v2cStructure of Grp94 with methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, a Grp94-selective inhibitor and promising therapeutic lead for treating myocilin-associated glaucoma6asp86.24no data
18ENPLEndoplasminP14625GRP94 TRA1vc4Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate, a pan-Hsp90 inhibitor6asq86.68no data
19ENPLEndoplasminP14625GRP94 TRA1d57Structure of GRP94 with a selective resorcinylic inhibitor.6baw90.05no data
20ENPLEndoplasminP14625GRP94 TRA1eqdStructure of GRP94 with a resorcinylic inhibitor.6c9190.32no data
21ENPLEndoplasminP14625GRP94 TRA1necCrystal Structure of the Unliganded Form of GRP94, the ER Hsp90: Basis for Nucleotide-Induced Conformational Change, GRP94N(DELTA)41 APO CRYSTAL SOAKED WITH NECA1ysz81.22no data
22ENPLEndoplasminP14625GRP94 TRA1necCrystal Structure Of The N-Domain Of Grp94 Lacking The Charged Domain In Complex With Neca1u2o81.28no data
23ENPLEndoplasminP14625GRP94 TRA1necCrystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with the specific ligand NECA6d2879.92no data
24HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAzz5Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone2wi589.85900.
25HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAzz4Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone2wi479.461560.
26HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAyukCrystal structure of Hsp90-alpha N-terminal domain in complex with 2-(4-Hydroxy-cyclohexylamino)-4-[5-(4-phenyl-imidazol-1-yl)-isoquinolin-1-yl]-benzamide3wq989.03no data
27HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAxklstructure of HSP90 with an inhibitor bound4bqj83.6no data
28HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAvj6Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams from Shikimic Acid4jql81.571000.
29HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAvhaHsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor3vha78.1740.
30HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAnecHsp90-alpha N-domain bound to NECA6b9979.68no data
31HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAkfyHsp90-alpha S52A bound to PU-11-trans6olx82.77no data
32HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAkfyHsp90-alpha bound to PU-11-trans6n8x83.79no data
33HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAh71Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H712fwz80.4550.
34HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAh0tHsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time5od781.81no data
35HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAgdmGELDANAMYCIN BOUND TO THE HSP90 GELDANAMYCIN-BINDING DOMAIN1yet80.231200.
36HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAg5eHsp90 in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione6hhr91.58no data
37HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAfu7Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide3r4p82.8911.
38HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAfu3Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide3r4o82.527.
39HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAfjsCrystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ65cf082.82no data
40HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAdz8Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-DZ82h5580.87no data
41HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAc8wEstimation of relative drug-target residence times by random acceleration molecular dynamics simulation6f1n82.93no data
42HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAc4nEstimation of relative drug-target residence times by random acceleration molecular dynamics simulation6ey984.75no data
43HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA9zcCrystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FS75xrd82.71no data
44HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA9unStructure of HSP90 with NMS-E973 inhibitor bound4b7p77.580.346
45HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA99bComplex of HSP90 ATPase domain with tropane derived inhibitors4awo90.0524.
46HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA99aComplex of HSP90 ATPase domain with tropane derived inhibitors4awp84.2881.
47HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA72kCRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR200323.5lq986.66no data
48HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA70oHSP90 WITH indazole derivative5lo681.8no data
49HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA70nHSP90 WITH indazole derivative5lo083.26no data
50HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA4eqHeat Shock Protein 90 Bound to CS3074ykt67.4no data
51HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2r6Identification of novel HSP90 / isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington s disease4o0991.1520.
52HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2qaIdentification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease4o0b91.635.
53HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2klOrally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone2wi775.2658.
54HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2dd3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone2byi89.13461.
55HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCArdcHuman Hsp90-alpha ATPase domain bound to Radicicol4egk87.9319.
56HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu4Human Hsp90-alpha with 9-Butyl-8-(4-methoxy-benzyl)-9H-purin-6-ylamine1uy780.11200000.
57HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu5Human Hsp90-alpha with 9-Butyl-8-(3-trimethoxy-benzyl)-9H-purin-6ylamine1uy882.0575000.
58HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu6Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-purin-6-ylamine1uy980.6315300.
59HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu7Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine1uyc82.8941000.
60HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu8Human Hsp90-alpha with 9-Butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine1uyd85.54200000.
61HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu9Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine1uye86.18200000.
62HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu1Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation6el586.61no data
63HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu1Human Hsp90-alpha with 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9H-purin-6-ylamine1uyf85.3630000.
64HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu2Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine1uyg88.3753500.
65HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu0Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine1uyh82.7114300.
66HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApuzHuman Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9H-purin-6-ylamine1uyi85.444100.
67HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApuxHuman Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9H-purin-6-ylamine1uyk82.1217100.
68HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApu3Human Hsp90-alpha with 9-Butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine1uy680.12200000.
69HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA4bcCrystal Structures of human HSP90alpha complexed with dihydroxyphenylpyrazoles1yc183.26680.
70HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA4bcCrystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles1yc381.85no data
71HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAct5Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design2bt088.83no data
72HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2d73-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone2byh87.75258.
73HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA4bhHUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)- BENZENE-1,2-DIOL2ccs92.332000.
74HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2e1HUMAN HSP90 WITH 5-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL- 2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE2cct89.589500.
75HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2d9HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-METHANESULPHONYL-BENZYL)- PIERAZIN-1-YL)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL2ccu77.8740.
76HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAh64Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H642fwy76.99200.
77HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAa94HSP90 complexed with A9430372qg083.91900.
78HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAa91HSP90 complexed with A9179852qg286.824000.
79HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2ggInhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs2uwd87.124.5
80HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2gj4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer2vci82.921.
81HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2eq4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer2vcj80.4921.
82HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAzz6Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone2wi684.43230.
83HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAvhdStructure of HSP90 with an inhibitor bound2xab82.850.54
84HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2dlStructure of HSP90 with small molecule inhibitor bound2xdl92.17790000.
85HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAc0pStructure of HSP90 with small molecule inhibitor bound2xhr81.434.8
86HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAc0yStructure of HSP90 with small molecule inhibitor bound2xht89.81100.
87HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAt5mStructure of HSP90 with small molecule inhibitor bound2xhx82.51250.
88HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAxjgStructure of HSP90 with small molecule inhibitor bound2xjg81.215.
89HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAxjxStructure of HSP90 with small molecule inhibitor bound2xjx65.230.71
90HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAyjwTricyclic series of Hsp90 inhibitors2yk286.64no data
91HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAyjwTricyclic series of Hsp90 inhibitors2yjw90.367600.
92HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAykbTricyclic series of Hsp90 inhibitors2ykb92.571100.
93HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAykeTricyclic series of Hsp90 inhibitors2yke90.341100.
94HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAp4aEstimation of relative drug-target residence times by random acceleration molecular dynamics simulation6eln92.52no data
95HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAcxzDiscovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp903bmy83.1630.
96HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAsnxCrystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp903d0b87.15290.
97HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApy9Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone3ekr86.3130.
98HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAmojStructure of HSP90 bound with a noval fragment.3ft887.9130.
99HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAbd0HSP90 N-terminal domain in complex with 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium3hek86.045.4
100HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA819Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819}3hhu83.6341.
101HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAz64Crystal structure of Hsp90 with fragment Z0643hz586.89no data
102HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAjzbHSP90 N-TERMINAL DOMAIN with pochoxime A3inw89.04no data
103HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAjzcHSP90 N-TERMINAL DOMAIN with pochoxime B3inx89.04no data
104HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA4cdHSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol3k9784.6210.
105HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA1rcHSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide3k9881.161.
106HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCApftHSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol3k9987.2360.
107HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAsd1Crystal Structure of Benzamide SNX-1321 bound to Hsp903mnr85.19no data
108HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAp54Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H543o0i85.86no data
109HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAbsmNovel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design2bsm86.65no data
110HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAbsmCrystal Structure of HSP90 with VER-490093owb87.1619.
111HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA94mHSP90A N-terminal domain in complex with BIIB0213qdd88.071.7
112HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA05sDesign and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity3qtf87.14110.
113HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAfu5Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide3r4n79.02130.
114HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA06hMacrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.3r9190.2692.
115HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA06tDiscovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model.3rkz83.2583.
116HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAvhcHsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor3vhc80.621.3
117HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAvheHsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH51648403vhd80.190.52
118HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAwhaHsp90 alpha N-terminal domain in complex with a tricyclic inhibitor3wha83.490.48
119HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA592Complex of HSP90 ATPase domain with tropane derived inhibitors4awq83.06479.
120HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAh05Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor4cwf82.9632400.
121HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA6lvHuman HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor4cwn86.422600.
122HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAt62Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor4cwo89.366100.
123HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAtv2Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor4cwp85.12170.
124HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAhajHuman HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor4cwr85.555.
125HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAg3rHuman HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor4cws83.4712.
126HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAik9Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor4cwt81.97179.
127HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAefuHsp90 Alpha N-terminal Domain in Complex with an Inhibitor 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid benzyl-methyl-amide4efu89.28250.
128HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCArl1Crystal structure of Human Hsp90 with RL14l8z84.73no data
129HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCArl3Crystal structure of Human Hsp90 with RL34l9084.3no data
130HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAs36Crystal structure of Human Hsp90 with S364l9379.61no data
131HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAs46Crystal structure of Human Hsp90 with S464l9484.48no data
132HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAfj2Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ24lwe80.6970.
133HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAfj4Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ44lwg81.22no data
134HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAfj5Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ54lwh79.0727.
135HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAfj6Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ64lwi85.1523.
136HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAe0gCorrelation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity4nh796.164.
137HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2lcCorrelation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity4nh890.693.
138HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2q8Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease4o0487.49690.
139HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA2q9Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease4o0589.2537.
140HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAfghIdentification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease4o0789.6942.
141HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAjr9Crystal structure of Human Hsp90 with JR94r3m84.56no data
142HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA990Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP9904u9388.0713.
143HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA3jcCrystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP9904w7t82.56900.
144HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA40wDiscovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors4xip92.44235.
145HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA40yDiscovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors4xiq92.5886.
146HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA40xDiscovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors4xir89.37115.
147HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA40zDiscovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors4xit85.6154.
148HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA4etHeat Shock Protein 90 Bound to CS3184ykx88.37no data
149HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA4evHeat Shock Protein 90 Bound to CS3204ykz85.58no data
150HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAtqlDynamic Undocking and the Quasi-Bound State as tools for Drug Design5fnf81.61700000.
151HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA7ftHsp90 alpha N-terminal domain in complex with an inhibitor5h2283.24no data
152HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA6g7Crystal Structure of Hsp90-alpha N-domain in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one5j6491.66no data
153HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA6gcHSP90 in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide5j9x88no data
154HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA6gcCrystal Structure of Hsp90-alpha N-domain in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide5j6l89.07no data
155HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA6fjHSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide5j2087.3no data
156HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA6fjCrystal Structure of Hsp90-alpha N-domain L107 mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide5j6m87.54no data
157HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA6ffHSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide5j2786.68no data
158HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA6ffCrystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide5j6n87.06no data
159HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA6gwCrystal Structure of Hsp90-alpha N-domain in complex with 2,4-Dihydroxy-N-methyl-5-(5-oxo-4-o-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-N-thiophen-2-ylmethyl-benzamide5j8691.25no data
160HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA70kHSP90 WITH indazole derivative5lny81.3no data
161HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA70zHSP90 WITH indazole derivative5lnz82.25no data
162HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA70lHSP90 WITH indazole derivative5lo184.32no data
163HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA70mHSP90 WITH indole derivative5lo592.28no data
164HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA72yCRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003498614A.5lr187.46no data
165HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA73sCRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A0034928755lrl89.17no data
166HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA73zCRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR1664755ls187.23no data
167HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA7f9Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase5m4e87.31no data
168HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA7fxApplication of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase5m4h89.38no data
169HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA9ekCrystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative5nyh80.72no data
170HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA9r8Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide5oci81.7no data
171HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA9rzCrystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative5odx87.39no data
172HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA74eCRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR148019.5t2187.13no data
173HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA9qyStructure of human Hsp90-alpha bound to resorcinylic inhibitor BnIm5vyy86.47no data
174HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA8cfCrystal structure of Human Hsp90 with FS25xqd85.48no data
175HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA8coCrystal structure of Human Hsp90 with FS35xqe77.57no data
176HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA8crCrystal structure of Human Hsp90 with FS45xr580.29no data
177HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA8cuCrystal structure of Human Hsp90 with FS65xr980.53no data
178HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA8duCrystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ55xrb80.06no data
179HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAjx1Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX15xre83.07no data
180HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAd57Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor.6ceo87.76no data
181HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAb5qEstimation of relative drug-target residence times by random acceleration molecular dynamics simulation6ei579.82no data
182HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAbawEstimation of relative drug-target residence times by random acceleration molecular dynamics simulation6elo91.23no data
183HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAba8Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation6elp83.65no data
184HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAc4tEstimation of relative drug-target residence times by random acceleration molecular dynamics simulation6ey889.86no data
185HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAc4kEstimation of relative drug-target residence times by random acceleration molecular dynamics simulation6eya89.11no data
186HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCAc3zEstimation of relative drug-target residence times by random acceleration molecular dynamics simulation6eyb87.37no data
187HS90AHeat shock protein HSP 90-alphaP07900HSP90A HSPC1 HSPCA4euHeat Shock Protein 90 Bound to CS3194yky87.06no data
188HS90BHeat shock protein HSP 90-betaP08238HSP90B HSPC2 HSPCBkfyHsp90-beta bound to PU-11-trans6n8y82.67no data
189HS90BHeat shock protein HSP 90-betaP08238HSP90B HSPC2 HSPCBpu3Human Hsp90-beta with PU3 (9-Butyl-8(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine)1uym84.391000.
190HS90BHeat shock protein HSP 90-betaP08238HSP90B HSPC2 HSPCB7ppHsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor3nmq79.090.2
191HS90BHeat shock protein HSP 90-betaP08238HSP90B HSPC2 HSPCB83sHsp90b N-terminal domain with inhibitors5uc482.32no data
192HS90BHeat shock protein HSP 90-betaP08238HSP90B HSPC2 HSPCB871Hsp90b N-terminal domain with inhibitors5uch83.98no data
193HS90BHeat shock protein HSP 90-betaP08238HSP90B HSPC2 HSPCB874Hsp90b N-terminal domain with inhibitors5uci85.25no data
194HS90BHeat shock protein HSP 90-betaP08238HSP90B HSPC2 HSPCBku3Hsp90b N-terminal domain with inhibitors5ucj83.94no data
195PDK2[Pyruvate dehydrogenaseQ15119PDHK2sz6VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells4v2572.0384.
196PDK2[Pyruvate dehydrogenaseQ15119PDHK27tjVER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells4v2671.64no data
197PDK2[Pyruvate dehydrogenaseQ15119PDHK27fwApplication of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase5m4m77.99no data
198PDK2[Pyruvate dehydrogenaseQ15119PDHK27fvApplication of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase5m4n63.78no data
199PDK2[Pyruvate dehydrogenaseQ15119PDHK27feApplication of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase5m4p73.51no data
200PDK2[Pyruvate dehydrogenaseQ15119PDHK2pftCrystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA74mp783.051827.
201PDK2[Pyruvate dehydrogenaseQ15119PDHK2pv1Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA14mp281.263570.
202PDK2[Pyruvate dehydrogenaseQ15119PDHK2p35Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS355j7173.89110.
203PDK2[Pyruvate dehydrogenaseQ15119PDHK27f9Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase5m4k75.882170.
204PDK3[Pyruvate dehydrogenaseQ15120PDHK3rdcPyruvate dehydrogenase kinase isoform 3 in complex with antitumor drug radicicol2q8i79.31400000.
205PDK4[Pyruvate dehydrogenaseQ16654PDHK4p4aInhibitor-bound structures of human pyruvate dehydrogenase kinase 42zdx77.8648000.